Basic information
- CAS
478259-32-4- Standard SMILES
O=C(C=Cc1cc2c(cc1Br)OCO2)Oc1cccc(Cl)c1- InChIKey
KJQGOSARTOROJQ-UHFFFAOYSA-N- Molecular formula
- C16H10BrClO4
- Average molar mass
- 381.6 g/mol
Names & identifiers
- Preferred name
- (3-Chlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
- IUPAC
- (3-chlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
- English name
- 3-Chlorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate
- Molecular formula
- C16H10BrClO4
- Molecular weight
- 381.61
Names & synonyms
(3-chlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate3-chlorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoateBionet1_004767AKOS0302454572-Propenoic acid, 3-(6-bromo-1,3-benzodioxol-5-yl)-, 3-chlorophenyl ester
Database identifiers
- CAS
478259-32-4
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Boiling point
- 501.4 · 501.4±50.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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